Geometry & MOs

Info

ID:	369633
PubChem CID:	127334963
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-30.73
Dipole, Da:	3.94
IP(EA), eV:	-9.29(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-hydroxycycloheptyl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C4CC4)O

DOS

IR

Vibrations