Geometry & MOs

Info

ID:	298349
PubChem CID:	117648427
Reduced:	FO2S2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	521.264962
ΔH_f, kcal/mol:	-32.53
Dipole, Da:	0.85
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S)-3-[[5-carbamoyl-6-(3,5-dimethoxyanilino)-3-fluoropyridin-2-yl]amino]-4-ethoxybutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC(=C(C=C1)/C=C/C2=CC=C(C=C2)SC(=O)C=C)F

DOS

IR

Vibrations