Geometry & MOs

Info

ID:	195356
PubChem CID:	78677485
Reduced:	ClOS2N4C16H21 (1)
Stoich.:	ABC2D4E16F21 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	2.22
Dipole, Da:	6.51
IP(EA), eV:	-8.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)CNC1=NN=C(S1)SCC(=O)NC(C)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations