Geometry & MOs

Info

ID:	153672
PubChem CID:	56312962
Reduced:	FO2N4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	464.155198
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	2.54
IP(EA), eV:	-8.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[4-[3-[(4-methylphenyl)sulfamoyl]thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations