Geometry & MOs

Info

ID:	70453
PubChem CID:	48413372
Reduced:	NSO3C8H12 (2)
Stoich.:	ABC3D8E12 (2)
Weight, g/mol:	357.135842
ΔH_f, kcal/mol:	-214.5
Dipole, Da:	6.62
IP(EA), eV:	-10.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC

DOS

IR

Vibrations