Geometry & MOs

Info

ID:	138055
PubChem CID:	52304753
Reduced:	S2N3O4H11C14 (1)
Stoich.:	A2B3C4D11E14 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-66.1
Dipole, Da:	2.36
IP(EA), eV:	-9.31(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]-2-methoxyphenyl]acetamide

Drug info:

PubChemData

Smile

C1CC1N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=NC=CS4

DOS

IR

Vibrations