Geometry & MOs

Info

ID:	215087
PubChem CID:	85084135
Reduced:	GeNC14H29 (1)
Stoich.:	ABC14D29 (1)
Weight, g/mol:	697.289383
ΔH_f, kcal/mol:	-23.43
Dipole, Da:	2.11
IP(EA), eV:	-8.57(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(1-cyclohexyl-3-hydroxy-5-pyridin-2-ylsulfanylpentan-2-yl)amino]-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCC1CNCC=C[Ge](C1)(CC)CC

DOS

IR

Vibrations