Geometry & MOs

Info

ID:	446237
PubChem CID:	135273379
Reduced:	SN4O7C28H30 (1)
Stoich.:	AB4C7D28E30 (1)
Weight, g/mol:	398.201714
ΔH_f, kcal/mol:	-213.48
Dipole, Da:	6.27
IP(EA), eV:	-9.08(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-(cyclohexylamino)-3-(3,5-difluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=CN=C3OC4=CC=C(C=C4)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations