Geometry & MOs

Info

ID:	138512
PubChem CID:	52377761
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	361.080636
ΔH_f, kcal/mol:	-80.68
Dipole, Da:	4.48
IP(EA), eV:	-8.97(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[2-[(4-methylsulfanylphenyl)carbamoyl]phenyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(=O)C)C)CN2CCC[C@@H]2C3=C(ON=C3C)C

DOS

IR

Vibrations