Geometry & MOs

Info

ID:	174480
PubChem CID:	75768749
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	5.61
IP(EA), eV:	-8.61(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3(C(=O)N(C4=C(O3)C=CC(=C4)C)C)C

DOS

IR

Vibrations