Geometry & MOs

Info

ID:	39227
PubChem CID:	8139949
Reduced:	SN2O3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	385.249118
ΔH_f, kcal/mol:	-53.67
Dipole, Da:	1.53
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)OC(=O)C1=C2CC/C(=C\C3=CC=CS3)/C2=NC4=CC=CC=C41

DOS

IR

Vibrations