Geometry & MOs

Info

ID:	441552
PubChem CID:	135236023
Reduced:	O5C32H44 (1)
Stoich.:	A5B32C44 (1)
Weight, g/mol:	507.117667
ΔH_f, kcal/mol:	-203.7
Dipole, Da:	4.59
IP(EA), eV:	-9.48(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,4-difluorophenyl)-5-(1H-pyrazol-5-yl)phenyl]-6-(methanesulfonamido)indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C[C@H]([C@@H](CC1)C(=C)C)C2=C(C(=C(C(=O)C2=O)CCCCCC3C[C@@H]4CC[C@]3(C4(C)C)C)C(=O)O)O

DOS

IR

Vibrations