Geometry & MOs

Info

ID:	243133
PubChem CID:	99215894
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	454.149718
ΔH_f, kcal/mol:	-116.94
Dipole, Da:	6.22
IP(EA), eV:	-8.57(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-(1H-indole-3-carbonyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C[C@H](O2)C)CNC(=O)C3=CC=C(C=C3)N4C(=CNC4=O)C

DOS

IR

Vibrations