Geometry & MOs

Info

ID:	153115
PubChem CID:	56312251
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-28.67
Dipole, Da:	4.02
IP(EA), eV:	-9.18(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)NC(=O)NCCC3=CC=CS3

DOS

IR

Vibrations