Geometry & MOs

Info

ID:	39022
PubChem CID:	8138377
Reduced:	BrSN4O4C13H13 (1)
Stoich.:	ABC4D4E13F13 (1)
Weight, g/mol:	335.109233
ΔH_f, kcal/mol:	-80.82
Dipole, Da:	4.05
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclopropyl-2-phenyl-2-quinazolin-4-ylsulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)S(=O)(=O)NCC(=O)NNC(=O)C2=CC=CN2)Br

DOS

IR

Vibrations