Geometry & MOs

Info

ID:	61684
PubChem CID:	26711776
Reduced:	O2S2N3C19H25 (1)
Stoich.:	A2B2C3D19E25 (1)
Weight, g/mol:	452.07619
ΔH_f, kcal/mol:	-76.14
Dipole, Da:	3.65
IP(EA), eV:	-8.6(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cycloheptyl-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CSCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations