Geometry & MOs

Info

ID:	220002
PubChem CID:	85165132
Reduced:	O4C11H14 (3)
Stoich.:	A4B11C14 (3)
Weight, g/mol:	630.247835
ΔH_f, kcal/mol:	-429.0
Dipole, Da:	9.86
IP(EA), eV:	-9.23(-3.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]benzoyl]amino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC3=CC4=CC=CC=C4CC(C3)C)O

DOS

IR

Vibrations