Geometry & MOs

Info

ID:

168457

PubChem CID:

74970339

Reduced:

SN2O11C29H38 (1)

Stoich.:

AB2C11D29E38 (1)

Weight, g/mol:

556.120163

ΔHf, kcal/mol:

-464.91

Dipole, Da:

2.66

IP(EA), eV:

 -8.63(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)COC2=C(SC=C2)C(=O)NCC3C(C(C(C(O3)CC(=O)NC(CCC(=O)O)C(=O)O)O)O)O

DOS

IR

Vibrations