Geometry & MOs

Info

ID:	34560
PubChem CID:	7978668
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-147.28
Dipole, Da:	2.69
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CCCN4C5=CC=CC=C5OC4=O

DOS

IR

Vibrations