Geometry & MOs

Info

ID:	153116
PubChem CID:	56312252
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	441.208613
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	3.17
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-methylsulfanylanilino)-3-oxopropyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)N(CCC#N)CCC#N

DOS

IR

Vibrations