Geometry & MOs

Info

ID:	244533
PubChem CID:	99361288
Reduced:	SN3O4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	401.105034
ΔH_f, kcal/mol:	-174.93
Dipole, Da:	6.34
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-3-methoxy-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations