Geometry & MOs

Info

ID:	236273
PubChem CID:	92712170
Reduced:	SN4O4H24C27 (1)
Stoich.:	AB4C4D24E27 (1)
Weight, g/mol:	476.111853
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	3.15
IP(EA), eV:	-8.11(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=N[C@@H](C(=O)N42)CC5=CC=CC=C5)OC

DOS

IR

Vibrations