Geometry & MOs

Info

ID:	178095
PubChem CID:	76276504
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-13.21
Dipole, Da:	6.73
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=CC=N2)NC(=O)C3CSCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations