Geometry & MOs

Info

ID:	34996
PubChem CID:	7979177
Reduced:	SN3O5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-195.24
Dipole, Da:	5.26
IP(EA), eV:	-9.31(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC)OC(=O)[C@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations