Geometry & MOs

Info

ID:	62633
PubChem CID:	26732568
Reduced:	ClSN2O7C15H17 (1)
Stoich.:	ABC2D7E15F17 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-204.21
Dipole, Da:	4.12
IP(EA), eV:	-10.09(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]phenyl]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations