Geometry & MOs

Info

ID:	137681
PubChem CID:	52243906
Reduced:	N3O3C29H33 (1)
Stoich.:	A3B3C29D33 (1)
Weight, g/mol:	399.155395
ΔH_f, kcal/mol:	-91.26
Dipole, Da:	5.5
IP(EA), eV:	-8.94(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations