Geometry & MOs

Info

ID:	441201
PubChem CID:	135233598
Reduced:	SO2N4C20H36 (1)
Stoich.:	AB2C4D20E36 (1)
Weight, g/mol:	337.152537
ΔH_f, kcal/mol:	-106.21
Dipole, Da:	4.98
IP(EA), eV:	-8.06(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[4-(hydroxymethyl)-6-oxo-5-propanoylpyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC1(CCC(CC1NS(=O)(=O)C)C2=NC(=C(C=C2)NCC(C)(C)C)NC)C

DOS

IR

Vibrations