Geometry & MOs

Info

ID:	137851
PubChem CID:	52272696
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-87.53
Dipole, Da:	2.65
IP(EA), eV:	-9.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)SC

DOS

IR

Vibrations