Geometry & MOs

Info

ID:	170038
PubChem CID:	75185783
Reduced:	N3O3C28H33 (1)
Stoich.:	A3B3C28D33 (1)
Weight, g/mol:	560.182648
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	4.83
IP(EA), eV:	-9.24(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-4-[[1-[(3-nitrophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3CCCCC3C(=O)N(C2=O)CCC(=O)N4CCC5=CC=CC=C5C4

DOS

IR

Vibrations