Geometry & MOs

Info

ID:	302209
PubChem CID:	124360346
Reduced:	SO3N4C23H32 (1)
Stoich.:	AB3C4D23E32 (1)
Weight, g/mol:	361.038482
ΔH_f, kcal/mol:	-114.03
Dipole, Da:	7.17
IP(EA), eV:	-8.59(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3,5-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCN(CC1)C)NC(=O)[C@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations