Geometry & MOs

Info

ID:	52490
PubChem CID:	12015368
Reduced:	N2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	621.193173
ΔH_f, kcal/mol:	-25.88
Dipole, Da:	5.18
IP(EA), eV:	-9.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[3,5-bis[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]carbamoyl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1OC(=O)N3C=CN=C3

DOS

IR

Vibrations