Geometry & MOs

Info

ID:	164107
PubChem CID:	74382021
Reduced:	N3O5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	442.084195
ΔH_f, kcal/mol:	-139.81
Dipole, Da:	6.91
IP(EA), eV:	-9.58(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1(C2=C(C(OC1=O)O)C(=O)N3CC4=C(C3=C2)N=C5C(=C4)C=CC=C5C=NC(C)(C)C)O

DOS

IR

Vibrations