Geometry & MOs

Info

ID:	233923
PubChem CID:	92192461
Reduced:	N3O5H23C26 (1)
Stoich.:	A3B5C23D26 (1)
Weight, g/mol:	416.193378
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	8.85
IP(EA), eV:	-8.6(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[(4-fluorophenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N/N=C/2\C(=CC3=C(O2)C=C(C=C3)OC)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations