Geometry & MOs

Info

ID:	312701
PubChem CID:	126607461
Reduced:	SO3C11H22 (1)
Stoich.:	AB3C11D22 (1)
Weight, g/mol:	437.253923
ΔH_f, kcal/mol:	-178.48
Dipole, Da:	2.3
IP(EA), eV:	-8.95(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-4-amino-3-[amino(methyl)amino]but-3-enoxy]-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

Drug info:

PubChemData

Smile

CCC(C)OC(=O)OCCC(C)(CC)S

DOS

IR

Vibrations