Geometry & MOs

Info

ID:	276810
PubChem CID:	103825365
Reduced:	NSO2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	282.157957
ΔH_f, kcal/mol:	-101.86
Dipole, Da:	2.76
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-oxopropyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)CSC1=CC2=C(CCC2)C=C1

DOS

IR

Vibrations