Geometry & MOs

Info

ID:	437048
PubChem CID:	135214229
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-107.09
Dipole, Da:	6.83
IP(EA), eV:	-8.19(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[cyclopropyl(methyl)amino]-3-(4-hydroxyphenyl)propyl]-3-(2-phenylethyl)urea

Drug info:

PubChemData

Smile

C[C@@H](CC1=CSC=C1)NC(=O)NC[C@H](CC2=CC=C(C(C2)CO)O)N(C)C

DOS

IR

Vibrations