Geometry & MOs

Info

ID:	144166
PubChem CID:	53325047
Reduced:	ClFOSN3H15C21 (1)
Stoich.:	ABCDE3F15G21 (1)
Weight, g/mol:	581.217127
ΔH_f, kcal/mol:	31.6
Dipole, Da:	3.88
IP(EA), eV:	-8.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]phenoxy]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC(=C3)C4=CSC=C4)Cl

DOS

IR

Vibrations