Geometry & MOs

Info

ID:	244354
PubChem CID:	99344235
Reduced:	SN3O5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-126.46
Dipole, Da:	4.21
IP(EA), eV:	-9.01(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3-dimethyl-5-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)OC)NC(=O)CN2C(=O)OC(=N2)C3=CC=CS3

DOS

IR

Vibrations