Geometry & MOs

Info

ID:	177802
PubChem CID:	76231880
Reduced:	ClSN3O3H10C16 (1)
Stoich.:	ABC3D3E10F16 (1)
Weight, g/mol:	427.189592
ΔH_f, kcal/mol:	39.42
Dipole, Da:	9.32
IP(EA), eV:	-9.43(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxo-4aH-quinazolin-2-yl)butanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C=CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations