Geometry & MOs

Info

ID:	133323
PubChem CID:	51508662
Reduced:	O2N5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	479.131506
ΔH_f, kcal/mol:	9.24
Dipole, Da:	6.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765270
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN2CC3=C(C[C@H]2C(=O)NCC4=CC=C(C=C4)OC)[NH+]=CN3

DOS

IR

Vibrations