Geometry & MOs

Info

ID:	410496
PubChem CID:	135083294
Reduced:	CrNSO8H21C22 (1)
Stoich.:	ABCD8E21F22 (1)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	-116.96
Dipole, Da:	5.17
IP(EA), eV:	-8.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(R)-(2-methoxyphenyl)-[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2OC)C(=C)C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations