Geometry & MOs

Info

ID:	192688
PubChem CID:	78302667
Reduced:	N5O5C20H33 (1)
Stoich.:	A5B5C20D33 (1)
Weight, g/mol:	451.279469
ΔH_f, kcal/mol:	-230.19
Dipole, Da:	5.3
IP(EA), eV:	-9.44(0.12)
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-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations