Geometry & MOs

Info

ID:	180870
PubChem CID:	76698276
Reduced:	ClO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	447.134066
ΔH_f, kcal/mol:	-47.27
Dipole, Da:	8.66
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[[2-amino-3-[4-(trifluoromethyl)phenyl]butyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC(=NC=C4)Cl

DOS

IR

Vibrations