Geometry & MOs

Info

ID:	57421
PubChem CID:	22395875
Reduced:	N2S2O7C25H26 (1)
Stoich.:	A2B2C7D25E26 (1)
Weight, g/mol:	479.079695
ΔH_f, kcal/mol:	-215.19
Dipole, Da:	7.92
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCSC2C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)O)OC

DOS

IR

Vibrations