Geometry & MOs

Info

ID:	140511
PubChem CID:	52712598
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	305.181336
ΔH_f, kcal/mol:	-109.99
Dipole, Da:	3.5
IP(EA), eV:	-9.28(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-butylsulfanyl-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCOCCO[C@H](C)C(=O)N[C@@H](C1CC1)C2=CC=C(C=C2)C

DOS

IR

Vibrations