Geometry & MOs

Info

ID:	155841
PubChem CID:	56367776
Reduced:	SN3O4C21H31 (1)
Stoich.:	AB3C4D21E31 (1)
Weight, g/mol:	454.167477
ΔH_f, kcal/mol:	-181.65
Dipole, Da:	3.99
IP(EA), eV:	-9.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1(CCCCC1)C(=O)NCC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations