Geometry & MOs

Info

ID:	441146
PubChem CID:	135233292
Reduced:	ON5C26H39 (1)
Stoich.:	AB5C26D39 (1)
Weight, g/mol:	337.152537
ΔH_f, kcal/mol:	-37.1
Dipole, Da:	7.57
IP(EA), eV:	-8.21(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC(CC1NC(=O)CC2=CN=CC=C2)C3=NC(=C(C=C3)NCC(C)(C)C)NC)C

DOS

IR

Vibrations