Geometry & MOs

Info

ID:	371495
PubChem CID:	127346614
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-95.33
Dipole, Da:	2.96
IP(EA), eV:	-7.98(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]-4H-1,4-benzoxazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=CC(=C2)NC(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations