Geometry & MOs

Info

ID:	192687
PubChem CID:	78302666
Reduced:	N5O5C21H35 (1)
Stoich.:	A5B5C21D35 (1)
Weight, g/mol:	423.248169
ΔH_f, kcal/mol:	-232.51
Dipole, Da:	5.44
IP(EA), eV:	-9.48(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[[4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[(2-amino-3-methylbutanoyl)amino]butanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCC1C=CC(C=C1)N)C(=O)NC(CCC(=O)N)C(=O)O)N

DOS

IR

Vibrations