Geometry & MOs

Info

ID:	53341
PubChem CID:	14710510
Reduced:	N2S2O7C25H36 (1)
Stoich.:	A2B2C7D25E36 (1)
Weight, g/mol:	482.241687
ΔH_f, kcal/mol:	-287.6
Dipole, Da:	8.22
IP(EA), eV:	-9.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[[2-(phenylmethoxycarbonylaminomethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC(CCCC(=O)CCCC(CNS(=O)(=O)C2=CC=C(C=C2)C)O)O

DOS

IR

Vibrations