Geometry & MOs

Info

ID:	336444
PubChem CID:	127255451
Reduced:	N2O7C32H34 (1)
Stoich.:	A2B7C32D34 (1)
Weight, g/mol:	546.236601
ΔH_f, kcal/mol:	-240.3
Dipole, Da:	1.87
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethoxyphenyl)methyl-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN(CC(=O)O)C(=O)C2CCC[C@@H]2NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC

DOS

IR

Vibrations