Geometry & MOs

Info

ID:	70397
PubChem CID:	48413289
Reduced:	S2N3O4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	408.183127
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	6.22
IP(EA), eV:	-8.11(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)azepane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)N(CC2=C(C=CC(=C2)OC)OC)C3=CN(N=C3)C

DOS

IR

Vibrations