Geometry & MOs

Info

ID:	333398
PubChem CID:	127251950
Reduced:	SO3N5C21H29 (1)
Stoich.:	AB3C5D21E29 (1)
Weight, g/mol:	445.178376
ΔH_f, kcal/mol:	-78.69
Dipole, Da:	11.08
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)N2CCC3=C(C2)N=C(N=C3NC)C4CCNC4)C)OC

DOS

IR

Vibrations