Geometry & MOs

Info

ID:	312207
PubChem CID:	126603584
Reduced:	SO2N7H37C42 (1)
Stoich.:	AB2C7D37E42 (1)
Weight, g/mol:	401.135111
ΔH_f, kcal/mol:	113.23
Dipole, Da:	5.01
IP(EA), eV:	-7.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2,3-dihydrofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC(=NN=C4)C(=O)NC5=CN(C6=CC=CC=C65)CC7=CC=C(C=C7)C)NC(C8=C(N=CS8)C)O

DOS

IR

Vibrations