Geometry & MOs

Info

ID:	160781
PubChem CID:	57389757
Reduced:	ClSN2O2H19C21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	502.258006
ΔH_f, kcal/mol:	-1.59
Dipole, Da:	0.3
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[[1-[4-[4-(dimethylcarbamoyl)phenyl]phenyl]-3-methylbutyl]amino]pyridine-3-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=C[C@H](C3=C2C(=NO3)C)CC(=O)N)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations