Geometry & MOs

Info

ID:	44016
PubChem CID:	10322909
Reduced:	SN2O5C26H28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	480.331171
ΔH_f, kcal/mol:	-101.99
Dipole, Da:	4.29
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-imidazol-1-yl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations