Geometry & MOs

Info

ID:	235144
PubChem CID:	92304120
Reduced:	S2N3O3C19H25 (1)
Stoich.:	A2B3C3D19E25 (1)
Weight, g/mol:	418.144119
ΔH_f, kcal/mol:	-108.22
Dipole, Da:	6.12
IP(EA), eV:	-9.18(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3

DOS

IR

Vibrations