Geometry & MOs

Info

ID:

79512

PubChem CID:

49786949

Reduced:

N6O7C28H40 (2)

Stoich.:

A6B7C28D40 (2)

Weight, g/mol:

100.109944

ΔHf, kcal/mol:

-457.12

Dipole, Da:

15.12

IP(EA), eV:

 -9.36(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methane;methanol;dihydrate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C1=CC=CC=C1[N+](=O)[O-])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)O)C3=CC=CC=C3[N+](=O)[O-])NC(=O)[C@H](CCCCN)N

DOS

IR

Vibrations