Geometry & MOs

Info

ID:	83478
PubChem CID:	49857639
Reduced:	ClON4C23H25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	517.192546
ΔH_f, kcal/mol:	12.33
Dipole, Da:	7.82
IP(EA), eV:	-8.59(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N=C3N2CCN(C3)C(=O)C(C)(C)N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations