Geometry & MOs

Info

ID:	153229
PubChem CID:	56312390
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	430.167477
ΔH_f, kcal/mol:	-101.66
Dipole, Da:	5.16
IP(EA), eV:	-8.77(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-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)NC3=C(C=CC(=C3)[N+](=O)[O-])C

DOS

IR

Vibrations