Geometry & MOs

Info

ID:	157777
PubChem CID:	56437131
Reduced:	FO2N3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-138.43
Dipole, Da:	3.45
IP(EA), eV:	-9.02(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-benzylsulfanyl-3-methylbutanoyl)amino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)F

DOS

IR

Vibrations