Geometry & MOs

Info

ID:	190848
PubChem CID:	78068333
Reduced:	N5O6C21H31 (1)
Stoich.:	A5B6C21D31 (1)
Weight, g/mol:	520.264548
ΔH_f, kcal/mol:	-274.07
Dipole, Da:	7.03
IP(EA), eV:	-9.5(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(C)(C)C(=O)O)N

DOS

IR

Vibrations