Geometry & MOs

Info

ID:	348935
PubChem CID:	127274660
Reduced:	O2S2N4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	377.152161
ΔH_f, kcal/mol:	-32.07
Dipole, Da:	3.53
IP(EA), eV:	-8.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-methylpyrazol-3-yl)sulfonylamino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCSCC2)NS(=O)(=O)C3=CN=C(N3)C

DOS

IR

Vibrations