Geometry & MOs

Info

ID:	441164
PubChem CID:	135233389
Reduced:	N2C21H32 (1)
Stoich.:	A2B21C32 (1)
Weight, g/mol:	500.234493
ΔH_f, kcal/mol:	25.53
Dipole, Da:	4.3
IP(EA), eV:	-7.87(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[(E)-3-(5-butyl-3-methylthiophen-2-yl)-2-methylprop-2-enoyl]-4-(methylamino)-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCC(=C)C1=C(C=C(CC1=C)C(C)CC/C=C/NC(=C)CC)N

DOS

IR

Vibrations