Geometry & MOs

Info

ID:	84885
PubChem CID:	49870563
Reduced:	OSN3H21C26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	425.119798
ΔH_f, kcal/mol:	92.64
Dipole, Da:	4.95
IP(EA), eV:	-7.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-8-(4-hydroxyphenyl)sulfanyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=C3N=C(C(=O)N3C=C(N2)C4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations