Geometry & MOs

Info

ID:	341849
PubChem CID:	127264542
Reduced:	N6O6C19H32 (1)
Stoich.:	A6B6C19D32 (1)
Weight, g/mol:	554.25292
ΔH_f, kcal/mol:	-268.69
Dipole, Da:	7.04
IP(EA), eV:	-9.21(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-(1-tritylimidazol-4-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)O

DOS

IR

Vibrations