Geometry & MOs

Info

ID:	186708
PubChem CID:	77471169
Reduced:	ClS2N5O7H26C30 (1)
Stoich.:	AB2C5D7E26F30 (1)
Weight, g/mol:	467.232125
ΔH_f, kcal/mol:	-114.26
Dipole, Da:	6.09
IP(EA), eV:	-8.17(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-(3-methoxyphenyl)-6-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=C2C=C(C=CC2=O)Cl)N1)C#CC3=CC=C(C=C3)NC(=O)C4CS(=O)(=O)CCN4C(=O)C(C5=CSC=C5)NC(=O)O

DOS

IR

Vibrations