Geometry & MOs

Info

ID:	382228
PubChem CID:	134973236
Reduced:	NO2C25H26 (2)
Stoich.:	AB2C25D26 (2)
Weight, g/mol:	131.040485
ΔH_f, kcal/mol:	72.99
Dipole, Da:	16.37
IP(EA), eV:	-7.24(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethylthiirane-2-carboxamide

Drug info:

Smile

C[C@]12[C@](C([C@H](C1)CC2)(C)C)(O)C3=CC=C/C(=C\4/C(=O)C(=C5C(=C4)C=CC=C5)C6=C7C(=C/C(=C\8/NC(=CC=C8)[C@@]9(C([C@@H]1C[C@]9(CC1)C)(C)C)O)/C6=O)C=CC=C7)/N3

DOS

IR

Vibrations