Geometry & MOs

Info

ID:	187891
PubChem CID:	77639474
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	458.183956
ΔH_f, kcal/mol:	-41.11
Dipole, Da:	3.99
IP(EA), eV:	-8.43(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-N-[(3-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)CCCCCC(C(=O)NCCN1CCC2=CC=CC=C21)N3C=CC=N3

DOS

IR

Vibrations