Geometry & MOs

Info

ID:	308632
PubChem CID:	126497200
Reduced:	SN3H33C35 (1)
Stoich.:	AB3C33D35 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	253.26
Dipole, Da:	4.43
IP(EA), eV:	-7.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,10S,13S)-17-(cyclopropylmethyl)-4,13-dihydroxy-11-oxa-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5-trien-12-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C(=C\C=C/C=C)/S(C)(C1=CC2=C(C=C1)N=C3N2C4=CC=CC=C4N3C5=CC=CC=C5)/C(=C/C=C)/C=C\C=C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C(=C\C=C/C=C)/S(C)(C1=CC2=C(C=C1)N=C3N2C4=CC=CC=C4N3C5=CC=CC=C5)/C(=C/C=C)/C=C\C=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):