Geometry & MOs

Info

ID:	323082
PubChem CID:	126672157
Reduced:	SN4C6H10 (1)
Stoich.:	AB4C6D10 (1)
Weight, g/mol:	999.413354
ΔH_f, kcal/mol:	64.35
Dipole, Da:	5.9
IP(EA), eV:	-8.69(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[2-[2-[2-[2-[[4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5,5-dihydroxypentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide

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\N=C(NC(=S)N)N=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\N=C(NC(=S)N)N=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):