Geometry & MOs

Info

ID:	300064
PubChem CID:	119526652
Reduced:	ClSO2N3C22H30 (1)
Stoich.:	ABC2D3E22F30 (1)
Weight, g/mol:	308.129156
ΔH_f, kcal/mol:	-101.16
Dipole, Da:	5.29
IP(EA), eV:	-8.48(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]furan-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC(C2=CC=C(C=C2)C(C)C)N.Cl

DOS

IR

Vibrations