Geometry & MOs

Info

ID:	33248
PubChem CID:	7885639
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	379.174336
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	4.52
IP(EA), eV:	-8.63(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C)C

DOS

IR

Vibrations