Geometry & MOs

Info

ID:

218850

PubChem CID:

85090062

Reduced:

N2O5C30H48 (1)

Stoich.:

A2B5C30D48 (1)

Weight, g/mol:

516.255246

ΔHf, kcal/mol:

-272.92

Dipole, Da:

2.74

IP(EA), eV:

 -9.2(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-cyclohexyl-3-hydroxy-5-(1-methyltetrazol-5-yl)sulfanylpentan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(C(CC1CCC(CC1)C2=CC=CC=C2)NC(=O)C(CC=C)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations