Geometry & MOs

Info

ID:	38068
PubChem CID:	8026749
Reduced:	BrO2N3H12C16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	371.124095
ΔH_f, kcal/mol:	-6.96
Dipole, Da:	2.95
IP(EA), eV:	-9.24(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=O)N2CC(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations