Geometry & MOs

Info

ID:	414261
PubChem CID:	135087217
Reduced:	SO7N9C37H47 (1)
Stoich.:	AB7C9D37E47 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-182.95
Dipole, Da:	8.46
IP(EA), eV:	-8.37(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-methyl-N-(oxan-2-ylmethyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)CC5=CC(=NO5)C)C

DOS

IR

Vibrations