Geometry & MOs

Info

ID:	236284
PubChem CID:	92712202
Reduced:	FSO2N5H24C28 (1)
Stoich.:	ABC2D5E24F28 (1)
Weight, g/mol:	516.138675
ΔH_f, kcal/mol:	2.08
Dipole, Da:	2.65
IP(EA), eV:	-8.83(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC4=CC=CC=C4C5=N[C@@H](C(=O)N53)C6=CC=CC=C6

DOS

IR

Vibrations