Geometry & MOs

Info

ID:	135385
PubChem CID:	51864710
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	408.151251
ΔH_f, kcal/mol:	-83.69
Dipole, Da:	2.96
IP(EA), eV:	-8.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)N3CCCC3)OC

DOS

IR

Vibrations