Geometry & MOs

Info

ID:	310531
PubChem CID:	126581626
Reduced:	SN2C7H14 (1)
Stoich.:	AB2C7D14 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	22.2
Dipole, Da:	1.99
IP(EA), eV:	-8.52(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(9R,10S)-17-(cyclopropylmethyl)-4-hydroxy-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetic acid

Drug info:

PubChemData

Smile

CCNCC(=C)SC(=C)N

DOS

IR

Vibrations