Geometry & MOs

Info

ID:	446037
PubChem CID:	135271846
Reduced:	N2O6C19H30 (1)
Stoich.:	A2B6C19D30 (1)
Weight, g/mol:	449.325357
ΔH_f, kcal/mol:	-238.44
Dipole, Da:	4.32
IP(EA), eV:	-8.96(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[5-(carbamoylamino)-2-methylpentanoyl]amino]cyclohexa-1,5-dien-1-yl]methyl 5-propan-2-yloctanoate

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)OC(CC(CCO)OC)C(=O)OC)CNC=O

DOS

IR

Vibrations