Geometry & MOs

Info

ID:	57389
PubChem CID:	22395817
Reduced:	SCl2N3O5C19H19 (1)
Stoich.:	AB2C3D5E19F19 (1)
Weight, g/mol:	613.105242
ΔH_f, kcal/mol:	-168.19
Dipole, Da:	8.57
IP(EA), eV:	-9.92(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CN=CC=C3)C(=O)O

DOS

IR

Vibrations