Geometry & MOs

Info

ID:	429497
PubChem CID:	135169546
Reduced:	BrSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	493.158641
ΔH_f, kcal/mol:	22.12
Dipole, Da:	4.1
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminonaphthalen-1-yl)-N-[5-(methylamino)-6-(triazol-2-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](C(C2=CC=CC=C21)NC3=NC4=C(S3)C=C(C=C4)OCC5=C(C=NC=C5)Br)O

DOS

IR

Vibrations