Geometry & MOs

Info

ID:	6528
PubChem CID:	68814
Reduced:	N5O5C27H31 (1)
Stoich.:	A5B5C27D31 (1)
Weight, g/mol:	505.232519
ΔH_f, kcal/mol:	-161.06
Dipole, Da:	8.61
IP(EA), eV:	-9.12(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CN=CN3)C(=O)OC

DOS

IR

Vibrations