Geometry & MOs

Info

ID:	218261
PubChem CID:	85089101
Reduced:	SO2N5H21C24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	443.209658
ΔH_f, kcal/mol:	58.04
Dipole, Da:	5.2
IP(EA), eV:	-9.02(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[4-(3-methoxyphenyl)phenyl]methyl-(2-methylpropanoyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(S3)C#CCN4C(=O)CCC5=CC=CC=C54)C(=O)N6C2CCC6

DOS

IR

Vibrations