Geometry & MOs

Info

ID:	141086
PubChem CID:	52816134
Reduced:	N2O5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-144.12
Dipole, Da:	5.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798957
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(2S)-2-butoxypropanoyl]amino]propyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CCOC1=C(C=CC(=C1)NC(=O)C(C)(C)C2=CC3=C(C=C2)OCCO3)OC

DOS

IR

Vibrations