Geometry & MOs

Info

ID:	33632
PubChem CID:	7887287
Reduced:	N3O3S3C15H19 (1)
Stoich.:	A3B3C3D15E19 (1)
Weight, g/mol:	325.10002
ΔH_f, kcal/mol:	-88.54
Dipole, Da:	7.97
IP(EA), eV:	-9.1(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C

DOS

IR

Vibrations