Geometry & MOs

Info

ID:	153225
PubChem CID:	56312386
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-168.49
Dipole, Da:	1.83
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-cyanophenyl)methyl]-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(SC=C3)C(=O)OC

DOS

IR

Vibrations