Geometry & MOs

Info

ID:	35526
PubChem CID:	7979988
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-129.51
Dipole, Da:	6.05
IP(EA), eV:	-9.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4

DOS

IR

Vibrations