Geometry & MOs

Info

ID:	67359
PubChem CID:	46506346
Reduced:	SN3O4H23C26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	581.246061
ΔH_f, kcal/mol:	-66.89
Dipole, Da:	2.01
IP(EA), eV:	-8.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-2-[[3-oxo-2-[3-oxo-3-(2-phenylethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2C(=O)C3=C(N(C2=O)CC4=CC=CC=C4C#N)SC5=C3CCCC5)OC

DOS

IR

Vibrations