Geometry & MOs

Info

ID:	34746
PubChem CID:	7978891
Reduced:	NSO4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	414.19032
ΔH_f, kcal/mol:	-126.52
Dipole, Da:	2.32
IP(EA), eV:	-8.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCOC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations