Geometry & MOs

Info

ID:	187456
PubChem CID:	77574106
Reduced:	NS2O7C20H21 (1)
Stoich.:	AB2C7D20E21 (1)
Weight, g/mol:	481.255226
ΔH_f, kcal/mol:	-219.07
Dipole, Da:	1.99
IP(EA), eV:	-9.36(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentyl]carbamic acid

Drug info:

PubChemData

Smile

CC(=O)C1(CSC(C(C1(C(=O)C)O)(C(=O)C)O)OC2=CN=CC(=C2)C3=CC=CS3)O

DOS

IR

Vibrations