Geometry & MOs

Info

ID:	242740
PubChem CID:	99205960
Reduced:	BrSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	479.08783
ΔH_f, kcal/mol:	-66.02
Dipole, Da:	9.03
IP(EA), eV:	-8.93(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-bromophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C)NC(=O)CSCC(=O)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations