Geometry & MOs

Info

ID:	393647
PubChem CID:	135021423
Reduced:	ClISN2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	61.25
Dipole, Da:	2.54
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-2-hydroxy-4-methyl-1-phenylpent-3-enyl]-N-(4-methoxyphenyl)carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)Cl)I

DOS

IR

Vibrations