Geometry & MOs

Info

ID:	44613
PubChem CID:	10504395
Reduced:	SN2O5C25H26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	466.05202
ΔH_f, kcal/mol:	-165.4
Dipole, Da:	5.09
IP(EA), eV:	-8.11(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[[2-(tert-butylamino)-3-chloro-5-iodobenzoyl]amino]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1C2=NC3=C(C(=C2)OC)SC4=CC=CC=C43)C(=O)OCC)C)C

DOS

IR

Vibrations