Geometry & MOs

Info

ID:	440862
PubChem CID:	135231881
Reduced:	FO2N3C12H12 (2)
Stoich.:	AB2C3D12E12 (2)
Weight, g/mol:	488.328394
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	4.92
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-3-(3,7,11-trimethyldodecylsulfanyl)propanoate

Drug info:

PubChemData

Smile

CC(=NCC1=CC(=CC=C1)C(=O)N2CC(C2)O)N=C(C3=NC(=NO3)C4=CC=C(C=C4)OC(C)(F)F)N

DOS

IR

Vibrations