Geometry & MOs

Info

ID:	177825
PubChem CID:	76237893
Reduced:	N3O4H25C26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-60.83
Dipole, Da:	3.63
IP(EA), eV:	-8.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C=CC2=CC=CC=C2OC)CC3=CC=CC=C3)C

DOS

IR

Vibrations