Geometry & MOs

Info

ID:	235158
PubChem CID:	92304149
Reduced:	NSO2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-12.89
Dipole, Da:	2.85
IP(EA), eV:	-8.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,4-dioxo-3-propylquinazolin-1-yl)-N-(pyridin-2-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C(=O)/C(=C\C3=CC=C(C=C3)N(C)C)/S2

DOS

IR

Vibrations