Geometry & MOs

Info

ID:	68291
PubChem CID:	46508126
Reduced:	ClSO2N5C23H26 (1)
Stoich.:	ABC2D5E23F26 (1)
Weight, g/mol:	422.081554
ΔH_f, kcal/mol:	-24.37
Dipole, Da:	5.92
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)NC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations