Geometry & MOs

Info

ID:	70861
PubChem CID:	48413967
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	406.167477
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	6.46
IP(EA), eV:	-9.06(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)NC(=O)C3=CC=CO3

DOS

IR

Vibrations