Geometry & MOs

Info

ID:	44360
PubChem CID:	10503128
Reduced:	S2N3O5C19H23 (1)
Stoich.:	A2B3C5D19E23 (1)
Weight, g/mol:	437.288971
ΔH_f, kcal/mol:	-114.25
Dipole, Da:	2.12
IP(EA), eV:	-8.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-[4-(3-aminopropoxy)butoxy]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC1([C@@H](N(CCCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)NO)C

DOS

IR

Vibrations