Geometry & MOs

Info

ID:	134666
PubChem CID:	51736956
Reduced:	ClN2O2C27H33 (1)
Stoich.:	AB2C2D27E33 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	3.59
IP(EA), eV:	-9.45(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N-[4-[[(1S)-1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C/C=C/[C@H](C(=O)NC1CCCCC1)N(C2=CC(=CC=C2)Cl)C(=O)C[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations