Geometry & MOs

Info

ID:	168750
PubChem CID:	75014263
Reduced:	O6C19H26 (1)
Stoich.:	A6B19C26 (1)
Weight, g/mol:	458.27405
ΔH_f, kcal/mol:	-190.57
Dipole, Da:	5.69
IP(EA), eV:	-9.6(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-[(3-amino-5-methylhexanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)C5C=CC(=O)O5)C

DOS

IR

Vibrations