Geometry & MOs

Info

ID:	137436
PubChem CID:	52208487
Reduced:	S2N3O3C15H19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	327.1646
ΔH_f, kcal/mol:	-88.47
Dipole, Da:	23.1
IP(EA), eV:	-7.59(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-(3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CCSC2=C(C3=C(S2)C(=O)C=C(N3)[O-])C(=O)N

DOS

IR

Vibrations