Geometry & MOs

Info

ID:	180821
PubChem CID:	76691106
Reduced:	N5O7C38H51 (1)
Stoich.:	A5B7C38D51 (1)
Weight, g/mol:	374.235162
ΔH_f, kcal/mol:	-298.45
Dipole, Da:	4.35
IP(EA), eV:	-9.02(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[methyl-[2-(3-oxopentan-2-ylcarbamoylamino)ethyl]amino]-N-(2-sulfanylethyl)hexanamide

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)C(CC1=CC=CC=C1)NC)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)O

DOS

IR

Vibrations