Geometry & MOs

Info

ID:	36600
PubChem CID:	8009365
Reduced:	SO2N3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	5.73
IP(EA), eV:	-8.6(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-ethoxy-4-formylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H]([C@@H](CCC2=O)C(=O)NC3=C(C=CC=N3)C)C4=CC=CS4

DOS

IR

Vibrations